(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

C18H24N4O3 — CID 95337490

IUPAC(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCc1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c12
InChIInChI=1S/C18H24N4O3/c1-11(23)10-21-5-7-22(8-6-21)18(24)14-9-15(13-3-4-13)19-17-16(14)12(2)20-25-17/h9,11,13,23H,3-8,10H2,1-2H3/t11-/m0/s1
InChIKeyHRKHTOFVSGSJGW-NSHDSACASA-N
MW344.42 g/mol
LogP1.55
Rot. Bonds4

About (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (PubChem CID 95337490) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
PubChem CID95337490
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
SMILESCc1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c12
InChIInChI=1S/C18H24N4O3/c1-11(23)10-21-5-7-22(8-6-21)18(24)14-9-15(13-3-4-13)19-17-16(14)12(2)20-25-17/h9,11,13,23H,3-8,10H2,1-2H3/t11-/m0/s1
InChIKeyHRKHTOFVSGSJGW-NSHDSACASA-N
XLogP1.55
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

1-[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030572
[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 43055459
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556606
[4-(3-aminopropoxy)piperidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119664479
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 86905236
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97067282
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 112814666
(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561721
1-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 18160027
(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 75369099

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone (CID 95337490) is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C[C@H](C)O)CC3)c12.
What is the InChIKey of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
The InChIKey is HRKHTOFVSGSJGW-NSHDSACASA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(23)10-21-5-7-22(8-6-21)18(24)14-9-15(13-3-4-13)19-17-16(14)12(2)20-25-17/h9,11,13,23H,3-8,10H2,1-2H3/t11-/m0/s1.
What are the key properties of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone?
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95337490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).